[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate

C148H148N8O32S8 — CID 159837035

About [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate

[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate (PubChem CID 159837035) has the molecular formula C148H148N8O32S8 and a molecular weight of 2807.37 g/mol. Its IUPAC name is [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate.

Molecular Properties

• Compound Name: [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate
• PubChem CID: 159837035
• Molecular Formula: C148H148N8O32S8
• Molecular Weight: 2807.37 g/mol
• Exact Mass: 2804.80
• IUPAC Name: [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate
• SMILES: O=C(CC1CCCCC1)Oc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C(CCC1CCCC1)Oc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C(CCC1CCCCC1)Oc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C(CCCC1CCCCC1)Oc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C(CCCCC1CCCCC1)Oc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C(Cc1ccccc1)Oc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C1NC(=O)/C(=C/c2ccc(OC(=O)C3CCCCC3)cc2)S1.O=C1NC(=O)/C(=C/c2ccc(OC(=O)c3ccccc3)cc2)S1
• InChI: InChI=1S/C21H25NO4S.C20H23NO4S.C19H21NO4S.2C18H19NO4S.C18H13NO4S.C17H17NO4S.C17H11NO4S/c23-19(9-5-4-8-15-6-2-1-3-7-15)26-17-12-10-16(11-13-17)14-18-20(24)22-21(25)27-18;22-18(8-4-7-14-5-2-1-3-6-14)25-16-11-9-15(10-12-16)13-17-19(23)21-20(24)26-17;21-17(11-8-13-4-2-1-3-5-13)24-15-9-6-14(7-10-15)12-16-18(22)20-19(23)25-16;20-16(10-7-12-3-1-2-4-12)23-14-8-5-13(6-9-14)11-15-17(21)19-18(22)24-15;2*20-16(11-12-4-2-1-3-5-12)23-14-8-6-13(7-9-14)10-15-17(21)19-18(22)24-15;2*19-15-14(23-17(21)18-15)10-11-6-8-13(9-7-11)22-16(20)12-4-2-1-3-5-12/h10-15H,1-9H2,(H,22,24,25);9-14H,1-8H2,(H,21,23,24);6-7,9-10,12-13H,1-5,8,11H2,(H,20,22,23);5-6,8-9,11-12H,1-4,7,10H2,(H,19,21,22);6-10,12H,1-5,11H2,(H,19,21,22);1-10H,11H2,(H,19,21,22);6-10,12H,1-5H2,(H,18,19,21);1-10H,(H,18,19,21)/b18-14-;17-13-;16-12-;15-11-;2*15-10-;2*14-10-
• InChIKey: NOFDUBHPYFLHHV-QMJVEELPSA-N
• XLogP: 31.66
• TPSA: 579.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 37
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2807.37
LogP ≤ 5	31.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate?

The IUPAC name of [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate (CID 159837035) is [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate.

What is the SMILES notation for [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate?

The canonical SMILES for [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate is O=C(CC1CCCCC1)Oc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C(CCC1CCCC1)Oc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C(CCC1CCCCC1)Oc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C(CCCC1CCCCC1)Oc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C(CCCCC1CCCCC1)Oc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C(Cc1ccccc1)Oc1ccc(/C=C2\SC(=O)NC2=O)cc1.O=C1NC(=O)/C(=C/c2ccc(OC(=O)C3CCCCC3)cc2)S1.O=C1NC(=O)/C(=C/c2ccc(OC(=O)c3ccccc3)cc2)S1.

What is the InChIKey of [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate?

The InChIKey is NOFDUBHPYFLHHV-QMJVEELPSA-N. The full InChI is InChI=1S/C21H25NO4S.C20H23NO4S.C19H21NO4S.2C18H19NO4S.C18H13NO4S.C17H17NO4S.C17H11NO4S/c23-19(9-5-4-8-15-6-2-1-3-7-15)26-17-12-10-16(11-13-17)14-18-20(24)22-21(25)27-18;22-18(8-4-7-14-5-2-1-3-6-14)25-16-11-9-15(10-12-16)13-17-19(23)21-20(24)26-17;21-17(11-8-13-4-2-1-3-5-13)24-15-9-6-14(7-10-15)12-16-18(22)20-19(23)25-16;20-16(10-7-12-3-1-2-4-12)23-14-8-5-13(6-9-14)11-15-17(21)19-18(22)24-15;2*20-16(11-12-4-2-1-3-5-12)23-14-8-6-13(7-9-14)10-15-17(21)19-18(22)24-15;2*19-15-14(23-17(21)18-15)10-11-6-8-13(9-7-11)22-16(20)12-4-2-1-3-5-12/h10-15H,1-9H2,(H,22,24,25);9-14H,1-8H2,(H,21,23,24);6-7,9-10,12-13H,1-5,8,11H2,(H,20,22,23);5-6,8-9,11-12H,1-4,7,10H2,(H,19,21,22);6-10,12H,1-5,11H2,(H,19,21,22);1-10H,11H2,(H,19,21,22);6-10,12H,1-5H2,(H,18,19,21);1-10H,(H,18,19,21)/b18-14-;17-13-;16-12-;15-11-;2*15-10-;2*14-10-.

What are the key properties of [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate?

[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate has a molecular weight of 2807.37 g/mol, XLogP of 31.66, 37 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] cyclohexanecarboxylate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-cyclohexylacetate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-cyclohexylbutanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-cyclohexylpentanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclohexylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-cyclopentylpropanoate;[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-phenylacetate is sourced from PubChem (CID 159837035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).